2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole

C24H26N4O4 — CID 11259075

IUPAC2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(CCCCCCc3nnc(COc4ccccc4)o3)o2)cc1
InChIInChI=1S/C24H26N4O4/c1(9-15-21-25-27-23(31-21)17-29-19-11-5-3-6-12-19)2-10-16-22-26-28-24(32-22)18-30-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKeyOBFXTUSSRDHANK-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.96
Rot. Bonds13

About 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole

2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole (PubChem CID 11259075) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
PubChem CID11259075
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(CCCCCCc3nnc(COc4ccccc4)o3)o2)cc1
InChIInChI=1S/C24H26N4O4/c1(9-15-21-25-27-23(31-21)17-29-19-11-5-3-6-12-19)2-10-16-22-26-28-24(32-22)18-30-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKeyOBFXTUSSRDHANK-UHFFFAOYSA-N
XLogP4.96
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole (CID 11259075) is 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole is c1ccc(OCc2nnc(CCCCCCc3nnc(COc4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole?
The InChIKey is OBFXTUSSRDHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1(9-15-21-25-27-23(31-21)17-29-19-11-5-3-6-12-19)2-10-16-22-26-28-24(32-22)18-30-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2.
What are the key properties of 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole?
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole has a molecular weight of 434.50 g/mol, XLogP of 4.96, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole is sourced from PubChem (CID 11259075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).